4-Hydroxyphenylacetaldehyde - ≥95%，~15% wt/vol in Ethyl Acetate , CAS No.7339-87-9

CAS: 7339-87-9 Cat. No.: H347012 Formule: C₈H₈O₂ Poids moléculaire: 136.15 Numéro CE: 689-849-1 PubChem CID: 440113

Synonyms

A930614 | pOH-Ph-CH2CHO | SCHEMBL105690 | GTPL6635 | DTXSID00223631 | PD049641 | 4-Hydroxyphenylacetaldehyde, approximately ~15per cent by weight in Ethyl Acetate | MFCD03411043 | (4-hydroxyphenyl)acetaldehyde | (4-Hydroxy-phenyl)-acetaldehyde | Q9552908

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

4-Hydroxyphenylacetaldehyde is a yeast metabolic pathway intermediate. 4-Hydroxyphenylacetaldehyde is a natural product and derivative of phenylacetaldehyde. At room temperature, 4-Hydroxyphenylacetaldehyde is a white solid. 4-Hydroxyphenylacetaldehyde can condense with dopamine as a key step in biosynthesis of benzylisoquinoline alkaloids. In the biosynthesis of benzylisoquinoline alkaloids, 4-Hydroxyphenylacetaldehyde and dopamine produce the natural products berberine and morphine.

Specifications

Synonymes

A930614 | pOH-Ph-CH2CHO | SCHEMBL105690 | GTPL6635 | DTXSID00223631 | PD049641 | 4-Hydroxyphenylacetaldehyde, approximately ~15per cent by weight in Ethyl Acetate | MFCD03411043 | (4-hydroxyphenyl)acetaldehyde | (4-Hydroxy-phenyl)-acetaldehyde | Q9552908

Spécifications et pureté

≥95%，~15% wt/vol in Ethyl Acetate

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

C1=CC(=CC=C1CC=O)O

IUPAC Name

2-(4-hydroxyphenyl)acetaldehyde

InChIKey

IPRPPFIAVHPVJH-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2

Isomères SMILES

C1=CC(=CC=C1CC=O)O

PubChem CID

440113

Poids moléculaire

136.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetaldehydes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetaldehydes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetaldehyde - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Point d'ébullition (°C): 266.15-296.15° C at 760 mmHg (Predicted)
• Poids moléculaire: 136.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1